2-aminoethyl 2,2-dimethylbutanoate;2-aminoethyl 2-methylbutanoate;3-aminopropyl 2,2-dimethylbutanoate;3-aminopropyl 2-methylbutanoate;butan-2-yl 4-aminobutanoate;butan-2-yl 3-aminopropanoate;butan-2-yl 3-hydroxypropanoate;2-butan-2-yloxyethanamine;2-butan-2-yloxyethanol;3-butan-2-yloxypropan-1-amine;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;2-methylbutan-2-yl 4-aminobutanoate;2-methylbutan-2-yl 3-aminopropanoate;2-methylbutan-2-yl 3-hydroxypropanoate;2-(2-methylbutan-2-yloxy)ethanamine;2-(2-methylbutan-2-yloxy)ethanol;3-(2-methylbutan-2-yloxy)propan-1-amine

C135H294N12O36 — CID 158027835

About 2-aminoethyl 2,2-dimethylbutanoate;2-aminoethyl 2-methylbutanoate;3-aminopropyl 2,2-dimethylbutanoate;3-aminopropyl 2-methylbutanoate;butan-2-yl 4-aminobutanoate;butan-2-yl 3-aminopropanoate;butan-2-yl 3-hydroxypropanoate;2-butan-2-yloxyethanamine;2-butan-2-yloxyethanol;3-butan-2-yloxypropan-1-amine;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;2-methylbutan-2-yl 4-aminobutanoate;2-methylbutan-2-yl 3-aminopropanoate;2-methylbutan-2-yl 3-hydroxypropanoate;2-(2-methylbutan-2-yloxy)ethanamine;2-(2-methylbutan-2-yloxy)ethanol;3-(2-methylbutan-2-yloxy)propan-1-amine

2-aminoethyl 2,2-dimethylbutanoate;2-aminoethyl 2-methylbutanoate;3-aminopropyl 2,2-dimethylbutanoate;3-aminopropyl 2-methylbutanoate;butan-2-yl 4-aminobutanoate;butan-2-yl 3-aminopropanoate;butan-2-yl 3-hydroxypropanoate;2-butan-2-yloxyethanamine;2-butan-2-yloxyethanol;3-butan-2-yloxypropan-1-amine;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;2-methylbutan-2-yl 4-aminobutanoate;2-methylbutan-2-yl 3-aminopropanoate;2-methylbutan-2-yl 3-hydroxypropanoate;2-(2-methylbutan-2-yloxy)ethanamine;2-(2-methylbutan-2-yloxy)ethanol;3-(2-methylbutan-2-yloxy)propan-1-amine (PubChem CID 158027835) has the molecular formula C135H294N12O36 and a molecular weight of 2661.88 g/mol. Its IUPAC name is 2-aminoethyl 2,2-dimethylbutanoate;2-aminoethyl 2-methylbutanoate;3-aminopropyl 2,2-dimethylbutanoate;3-aminopropyl 2-methylbutanoate;butan-2-yl 4-aminobutanoate;butan-2-yl 3-aminopropanoate;butan-2-yl 3-hydroxypropanoate;2-butan-2-yloxyethanamine;2-butan-2-yloxyethanol;3-butan-2-yloxypropan-1-amine;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;2-methylbutan-2-yl 4-aminobutanoate;2-methylbutan-2-yl 3-aminopropanoate;2-methylbutan-2-yl 3-hydroxypropanoate;2-(2-methylbutan-2-yloxy)ethanamine;2-(2-methylbutan-2-yloxy)ethanol;3-(2-methylbutan-2-yloxy)propan-1-amine.

Molecular Properties

• Compound Name: 2-aminoethyl 2,2-dimethylbutanoate;2-aminoethyl 2-methylbutanoate;3-aminopropyl 2,2-dimethylbutanoate;3-aminopropyl 2-methylbutanoate;butan-2-yl 4-aminobutanoate;butan-2-yl 3-aminopropanoate;butan-2-yl 3-hydroxypropanoate;2-butan-2-yloxyethanamine;2-butan-2-yloxyethanol;3-butan-2-yloxypropan-1-amine;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;2-methylbutan-2-yl 4-aminobutanoate;2-methylbutan-2-yl 3-aminopropanoate;2-methylbutan-2-yl 3-hydroxypropanoate;2-(2-methylbutan-2-yloxy)ethanamine;2-(2-methylbutan-2-yloxy)ethanol;3-(2-methylbutan-2-yloxy)propan-1-amine
• PubChem CID: 158027835
• Molecular Formula: C135H294N12O36
• Molecular Weight: 2661.88 g/mol
• Exact Mass: 2660.15
• IUPAC Name: 2-aminoethyl 2,2-dimethylbutanoate;2-aminoethyl 2-methylbutanoate;3-aminopropyl 2,2-dimethylbutanoate;3-aminopropyl 2-methylbutanoate;butan-2-yl 4-aminobutanoate;butan-2-yl 3-aminopropanoate;butan-2-yl 3-hydroxypropanoate;2-butan-2-yloxyethanamine;2-butan-2-yloxyethanol;3-butan-2-yloxypropan-1-amine;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;2-methylbutan-2-yl 4-aminobutanoate;2-methylbutan-2-yl 3-aminopropanoate;2-methylbutan-2-yl 3-hydroxypropanoate;2-(2-methylbutan-2-yloxy)ethanamine;2-(2-methylbutan-2-yloxy)ethanol;3-(2-methylbutan-2-yloxy)propan-1-amine
• SMILES: CCC(C)(C)C(=O)OCCCN.CCC(C)(C)C(=O)OCCN.CCC(C)(C)C(=O)OCCO.CCC(C)(C)OC(=O)CCCN.CCC(C)(C)OC(=O)CCN.CCC(C)(C)OC(=O)CCO.CCC(C)(C)OCCCN.CCC(C)(C)OCCN.CCC(C)(C)OCCO.CCC(C)C(=O)OCCCN.CCC(C)C(=O)OCCN.CCC(C)C(=O)OCCO.CCC(C)OC(=O)CCCN.CCC(C)OC(=O)CCN.CCC(C)OC(=O)CCO.CCC(C)OCCCN.CCC(C)OCCN.CCC(C)OCCO
• InChI: InChI=1S/2C9H19NO2.4C8H17NO2.C8H19NO.2C8H16O3.2C7H15NO2.2C7H17NO.2C7H14O3.C7H16O2.C6H15NO.C6H14O2/c1-4-9(2,3)8(11)12-7-5-6-10;1-4-9(2,3)12-8(11)6-5-7-10;1-4-8(2,3)7(10)11-6-5-9;1-4-8(2,3)11-7(10)5-6-9;1-3-7(2)8(10)11-6-4-5-9;1-3-7(2)11-8(10)5-4-6-9;1-4-8(2,3)10-7-5-6-9;1-4-8(2,3)7(10)11-6-5-9;1-4-8(2,3)11-7(10)5-6-9;1-3-6(2)7(9)10-5-4-8;1-3-6(2)10-7(9)4-5-8;1-4-7(2,3)9-6-5-8;1-3-7(2)9-6-4-5-8;1-3-6(2)7(9)10-5-4-8;1-3-6(2)10-7(9)4-5-8;1-4-7(2,3)9-6-5-8;2*1-3-6(2)8-5-4-7/h2*4-7,10H2,1-3H3;2*4-6,9H2,1-3H3;2*7H,3-6,9H2,1-2H3;4-7,9H2,1-3H3;2*9H,4-6H2,1-3H3;2*6H,3-5,8H2,1-2H3;4-6,8H2,1-3H3;7H,3-6,8H2,1-2H3;2*6,8H,3-5H2,1-2H3;8H,4-6H2,1-3H3;6H,3-5,7H2,1-2H3;6-7H,3-5H2,1-2H3
• InChIKey: FGUSTDFGLZAADC-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 804.60 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 48
• Rotatable Bonds: 78
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2661.88
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2,2-dimethylbutanoate;2-aminoethyl 2-methylbutanoate;3-aminopropyl 2,2-dimethylbutanoate;3-aminopropyl 2-methylbutanoate;butan-2-yl 4-aminobutanoate;butan-2-yl 3-aminopropanoate;butan-2-yl 3-hydroxypropanoate;2-butan-2-yloxyethanamine;2-butan-2-yloxyethanol;3-butan-2-yloxypropan-1-amine;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;2-methylbutan-2-yl 4-aminobutanoate;2-methylbutan-2-yl 3-aminopropanoate;2-methylbutan-2-yl 3-hydroxypropanoate;2-(2-methylbutan-2-yloxy)ethanamine;2-(2-methylbutan-2-yloxy)ethanol;3-(2-methylbutan-2-yloxy)propan-1-amine?

The IUPAC name of 2-aminoethyl 2,2-dimethylbutanoate;2-aminoethyl 2-methylbutanoate;3-aminopropyl 2,2-dimethylbutanoate;3-aminopropyl 2-methylbutanoate;butan-2-yl 4-aminobutanoate;butan-2-yl 3-aminopropanoate;butan-2-yl 3-hydroxypropanoate;2-butan-2-yloxyethanamine;2-butan-2-yloxyethanol;3-butan-2-yloxypropan-1-amine;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;2-methylbutan-2-yl 4-aminobutanoate;2-methylbutan-2-yl 3-aminopropanoate;2-methylbutan-2-yl 3-hydroxypropanoate;2-(2-methylbutan-2-yloxy)ethanamine;2-(2-methylbutan-2-yloxy)ethanol;3-(2-methylbutan-2-yloxy)propan-1-amine (CID 158027835) is 2-aminoethyl 2,2-dimethylbutanoate;2-aminoethyl 2-methylbutanoate;3-aminopropyl 2,2-dimethylbutanoate;3-aminopropyl 2-methylbutanoate;butan-2-yl 4-aminobutanoate;butan-2-yl 3-aminopropanoate;butan-2-yl 3-hydroxypropanoate;2-butan-2-yloxyethanamine;2-butan-2-yloxyethanol;3-butan-2-yloxypropan-1-amine;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;2-methylbutan-2-yl 4-aminobutanoate;2-methylbutan-2-yl 3-aminopropanoate;2-methylbutan-2-yl 3-hydroxypropanoate;2-(2-methylbutan-2-yloxy)ethanamine;2-(2-methylbutan-2-yloxy)ethanol;3-(2-methylbutan-2-yloxy)propan-1-amine.

What is the SMILES notation for 2-aminoethyl 2,2-dimethylbutanoate;2-aminoethyl 2-methylbutanoate;3-aminopropyl 2,2-dimethylbutanoate;3-aminopropyl 2-methylbutanoate;butan-2-yl 4-aminobutanoate;butan-2-yl 3-aminopropanoate;butan-2-yl 3-hydroxypropanoate;2-butan-2-yloxyethanamine;2-butan-2-yloxyethanol;3-butan-2-yloxypropan-1-amine;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;2-methylbutan-2-yl 4-aminobutanoate;2-methylbutan-2-yl 3-aminopropanoate;2-methylbutan-2-yl 3-hydroxypropanoate;2-(2-methylbutan-2-yloxy)ethanamine;2-(2-methylbutan-2-yloxy)ethanol;3-(2-methylbutan-2-yloxy)propan-1-amine?

The canonical SMILES for 2-aminoethyl 2,2-dimethylbutanoate;2-aminoethyl 2-methylbutanoate;3-aminopropyl 2,2-dimethylbutanoate;3-aminopropyl 2-methylbutanoate;butan-2-yl 4-aminobutanoate;butan-2-yl 3-aminopropanoate;butan-2-yl 3-hydroxypropanoate;2-butan-2-yloxyethanamine;2-butan-2-yloxyethanol;3-butan-2-yloxypropan-1-amine;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;2-methylbutan-2-yl 4-aminobutanoate;2-methylbutan-2-yl 3-aminopropanoate;2-methylbutan-2-yl 3-hydroxypropanoate;2-(2-methylbutan-2-yloxy)ethanamine;2-(2-methylbutan-2-yloxy)ethanol;3-(2-methylbutan-2-yloxy)propan-1-amine is CCC(C)(C)C(=O)OCCCN.CCC(C)(C)C(=O)OCCN.CCC(C)(C)C(=O)OCCO.CCC(C)(C)OC(=O)CCCN.CCC(C)(C)OC(=O)CCN.CCC(C)(C)OC(=O)CCO.CCC(C)(C)OCCCN.CCC(C)(C)OCCN.CCC(C)(C)OCCO.CCC(C)C(=O)OCCCN.CCC(C)C(=O)OCCN.CCC(C)C(=O)OCCO.CCC(C)OC(=O)CCCN.CCC(C)OC(=O)CCN.CCC(C)OC(=O)CCO.CCC(C)OCCCN.CCC(C)OCCN.CCC(C)OCCO.

What is the InChIKey of 2-aminoethyl 2,2-dimethylbutanoate;2-aminoethyl 2-methylbutanoate;3-aminopropyl 2,2-dimethylbutanoate;3-aminopropyl 2-methylbutanoate;butan-2-yl 4-aminobutanoate;butan-2-yl 3-aminopropanoate;butan-2-yl 3-hydroxypropanoate;2-butan-2-yloxyethanamine;2-butan-2-yloxyethanol;3-butan-2-yloxypropan-1-amine;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;2-methylbutan-2-yl 4-aminobutanoate;2-methylbutan-2-yl 3-aminopropanoate;2-methylbutan-2-yl 3-hydroxypropanoate;2-(2-methylbutan-2-yloxy)ethanamine;2-(2-methylbutan-2-yloxy)ethanol;3-(2-methylbutan-2-yloxy)propan-1-amine?

The InChIKey is FGUSTDFGLZAADC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19NO2.4C8H17NO2.C8H19NO.2C8H16O3.2C7H15NO2.2C7H17NO.2C7H14O3.C7H16O2.C6H15NO.C6H14O2/c1-4-9(2,3)8(11)12-7-5-6-10;1-4-9(2,3)12-8(11)6-5-7-10;1-4-8(2,3)7(10)11-6-5-9;1-4-8(2,3)11-7(10)5-6-9;1-3-7(2)8(10)11-6-4-5-9;1-3-7(2)11-8(10)5-4-6-9;1-4-8(2,3)10-7-5-6-9;1-4-8(2,3)7(10)11-6-5-9;1-4-8(2,3)11-7(10)5-6-9;1-3-6(2)7(9)10-5-4-8;1-3-6(2)10-7(9)4-5-8;1-4-7(2,3)9-6-5-8;1-3-7(2)9-6-4-5-8;1-3-6(2)7(9)10-5-4-8;1-3-6(2)10-7(9)4-5-8;1-4-7(2,3)9-6-5-8;2*1-3-6(2)8-5-4-7/h2*4-7,10H2,1-3H3;2*4-6,9H2,1-3H3;2*7H,3-6,9H2,1-2H3;4-7,9H2,1-3H3;2*9H,4-6H2,1-3H3;2*6H,3-5,8H2,1-2H3;4-6,8H2,1-3H3;7H,3-6,8H2,1-2H3;2*6,8H,3-5H2,1-2H3;8H,4-6H2,1-3H3;6H,3-5,7H2,1-2H3;6-7H,3-5H2,1-2H3.

What are the key properties of 2-aminoethyl 2,2-dimethylbutanoate;2-aminoethyl 2-methylbutanoate;3-aminopropyl 2,2-dimethylbutanoate;3-aminopropyl 2-methylbutanoate;butan-2-yl 4-aminobutanoate;butan-2-yl 3-aminopropanoate;butan-2-yl 3-hydroxypropanoate;2-butan-2-yloxyethanamine;2-butan-2-yloxyethanol;3-butan-2-yloxypropan-1-amine;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;2-methylbutan-2-yl 4-aminobutanoate;2-methylbutan-2-yl 3-aminopropanoate;2-methylbutan-2-yl 3-hydroxypropanoate;2-(2-methylbutan-2-yloxy)ethanamine;2-(2-methylbutan-2-yloxy)ethanol;3-(2-methylbutan-2-yloxy)propan-1-amine?

2-aminoethyl 2,2-dimethylbutanoate;2-aminoethyl 2-methylbutanoate;3-aminopropyl 2,2-dimethylbutanoate;3-aminopropyl 2-methylbutanoate;butan-2-yl 4-aminobutanoate;butan-2-yl 3-aminopropanoate;butan-2-yl 3-hydroxypropanoate;2-butan-2-yloxyethanamine;2-butan-2-yloxyethanol;3-butan-2-yloxypropan-1-amine;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;2-methylbutan-2-yl 4-aminobutanoate;2-methylbutan-2-yl 3-aminopropanoate;2-methylbutan-2-yl 3-hydroxypropanoate;2-(2-methylbutan-2-yloxy)ethanamine;2-(2-methylbutan-2-yloxy)ethanol;3-(2-methylbutan-2-yloxy)propan-1-amine has a molecular weight of 2661.88 g/mol, XLogP of 17.88, 78 rotatable bonds, 18 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoethyl 2,2-dimethylbutanoate;2-aminoethyl 2-methylbutanoate;3-aminopropyl 2,2-dimethylbutanoate;3-aminopropyl 2-methylbutanoate;butan-2-yl 4-aminobutanoate;butan-2-yl 3-aminopropanoate;butan-2-yl 3-hydroxypropanoate;2-butan-2-yloxyethanamine;2-butan-2-yloxyethanol;3-butan-2-yloxypropan-1-amine;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;2-methylbutan-2-yl 4-aminobutanoate;2-methylbutan-2-yl 3-aminopropanoate;2-methylbutan-2-yl 3-hydroxypropanoate;2-(2-methylbutan-2-yloxy)ethanamine;2-(2-methylbutan-2-yloxy)ethanol;3-(2-methylbutan-2-yloxy)propan-1-amine is sourced from PubChem (CID 158027835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).